N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C23H24FN5O2 — CID 45225388

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1ccc(F)cc1)C1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C23H24FN5O2/c24-19-7-4-16(5-8-19)22-18(14-27-28-22)13-26-23(31)17-6-9-21(30)29(15-17)12-10-20-3-1-2-11-25-20/h1-5,7-8,11,14,17H,6,9-10,12-13,15H2,(H,26,31)(H,27,28)
InChIKeyLBSJBAJWABINHE-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.71
Rot. Bonds7

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 45225388) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID45225388
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1ccc(F)cc1)C1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C23H24FN5O2/c24-19-7-4-16(5-8-19)22-18(14-27-28-22)13-26-23(31)17-6-9-21(30)29(15-17)12-10-20-3-1-2-11-25-20/h1-5,7-8,11,14,17H,6,9-10,12-13,15H2,(H,26,31)(H,27,28)
InChIKeyLBSJBAJWABINHE-UHFFFAOYSA-N
XLogP2.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45222675
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7337056
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97190729
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
CID 46990222

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 45225388) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is O=C(NCc1cn[nH]c1-c1ccc(F)cc1)C1CCC(=O)N(CCc2ccccn2)C1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is LBSJBAJWABINHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-19-7-4-16(5-8-19)22-18(14-27-28-22)13-26-23(31)17-6-9-21(30)29(15-17)12-10-20-3-1-2-11-25-20/h1-5,7-8,11,14,17H,6,9-10,12-13,15H2,(H,26,31)(H,27,28).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45225388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).